N-(3-imidazol-1-ylpropyl)-N-[1-(phenylmethyl)-4-(prop-2-enylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-N-[1-(phenylmethyl)-4-(prop-2-enylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-[4-(allylcarbamoyl)-1-benzyl-4-piperidyl]-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-N-[4-[oxo-(prop-2-enylamino)methyl]-1-(phenylmethyl)-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-[1-benzyl-4-(prop-2-enylcarbamoyl)piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide Traditional Name: N-[4-(allylcarbamoyl)-1-benzyl-4-piperidyl]-N-(3-imidazol-1-ylpropyl)nicotinamide Formula: C28H34N6O2 MolecularWeight: 486.60856

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N(CCCN3C=CN=C3)C(=O)C4=CN=CC=C4

Isomeric SMILES

C=CCNC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N(CCCN3C=CN=C3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C28H34N6O2/c1-2-13-31-27(36)28(11-18-32(19-12-28)22-24-8-4-3-5-9-24)34(17-7-16-33-20-15-30-23-33)26(35)25-10-6-14-29-21-25/h2-6,8-10,14-15,20-21,23H,1,7,11-13,16-19,22H2,(H,31,36)